2-Chloro-3-(naphthalen-1-ylamino)naphthalene-1,4-dione
Basic information
- CAS
6305-28-8- Standard SMILES
O=C1C(Cl)=C(Nc2cccc3ccccc23)C(=O)c2ccccc21- InChIKey
CPGLXBCSUIAYRO-UHFFFAOYSA-N- Molecular formula
- C20H12ClNO2
- Average molar mass
- 333.8 g/mol
- Monoisotopic mass
- 333.0556563
Names & identifiers
- Preferred name
- 2-Chloro-3-(naphthalen-1-ylamino)naphthalene-1,4-dione
- IUPAC
- 2-chloro-3-(naphthalen-1-ylamino)naphthalene-1,4-dione
Names & synonyms
6305-28-82-chloro-3-(naphthalen-1-ylamino)naphthalene-1,4-dioneNSC41106DTXSID30285227NSC-411062-Chloro-3-[(naphthalen-1-yl)amino]naphthalene-1,4-dione
Database identifiers
- CAS
6305-28-8- PubChem CID
- 237496
- DTXSID
DTXSID30285227
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 570
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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